Vitas-M small molecule compound
7-benzyl-2-(4-chloro-3-nitrophenyl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK384747
SMILES OC1=NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1ccc(c(c1)[N+](=O)[O-])Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H19ClN4O3S MW 454.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O3S/c23-16-7-6-14(10-17(16)27(29)30)20-24-21(28)19-15-8-9-26(11-13-4-2-1-3-5-13)12-18(15)31-22(19)25-20/h1-7,10,20,25H,8-9,11-12H2,(H,24,28)InChIKey
UBAULEYGOHNNSY-UHFFFAOYSA-NSynonyms
7benzyl2(4chloro3nitrophenyl)123568hexahydropyrido(23)thieno(24d)pyrimidin4one
7benzyl2(4chloro3nitrophenyl)125678hexahydropyrido(4345)thieno(23d)pyrimidin4ol
C1CN(CC2=C1C3=C(S2)NC(NC3=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))CC5=CC=CC=C5
InChI=1SC22H19ClN4O3Sc23167614(1017(16)27(29)30)202421(28)19158926(11134213513)1218(15)3122(19)2520h17102025H891112H2(H2428)
MFCD05661706
OC1=NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000015947338
ZINC000015947340
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